Basic information
- Standard SMILES
CCOC(=O)C(=O)C=CN(C)C- InChIKey
GTCBVGDJIQFBFF-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate
- IUPAC
- ethyl 4-(dimethylamino)-2-oxobut-3-enoate
Names & synonyms
MFCD00219095ethyl 4-(dimethylamino)-2-oxo-but-3-enoate3-Butenoic acid, 4-(dimethylamino)-2-oxo-, ethyl esterEthyl 4-(Dimethylamino)-2-oxo-3-butenoateSCHEMBL1061842GTCBVGDJIQFBFF-UHFFFAOYSA-NKAC82443SB38266SY320276ethyl 4-dimethylamino-2-oxo-but-3-enoateethyl-4-dimethylamino-2-oxo-but-3-enoateDB-017572
Database identifiers
- PubChem CID
- 2777802
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
14 records
Compound notes
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